Information card for entry 7001766

Structure parameters

• Formula: C46 H44 Mo P4 S2
• Calculated formula: C46 H44 Mo P4 S2
• SMILES: [Mo]123(S)(S)[P](CC[P]1(c1ccccc1[P]2(CC[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation of a bis(hydrosulfido) complex of Mo having a tetraphosphine co-ligand and its transformation into MoRh2 and MoIr2 mixed-metal sulfido clusters
• Authors of publication: Iwasa, Kentaro; Seino, Hidetake; Niikura, Fumiya; Mizobe, Yasushi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6134
• a: 14.054 ± 0.003 Å
• b: 12.073 ± 0.002 Å
• c: 25.259 ± 0.005 Å
• α: 90°
• β: 103.749 ± 0.001°
• γ: 90°
• Cell volume: 4163 ± 1.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No